Search results

Is isotropic minimization really what we want?

Status: Open.

#672 In pyiron/atomistics;

· samwaseda opened on May 20, 2026

Symmetry analyser in elastic module (probably) does not work

bugSomething isn't workingSomething isn't working

Status: Open.

#528 In pyiron/atomistics;

· samwaseda opened on Aug 13, 2025

[Enhancement] Benchmark against published work

Status: Open.

#518 In pyiron/atomistics;

· jan-janssen opened on Aug 7, 2025

[Enhancement] Too many functions without doc string

Status: Open.

#468 In pyiron/atomistics;

· samwaseda opened on May 6, 2025

[Enhancement] Derive Calculators from ASE Calculators

Status: Open.

#432 In pyiron/atomistics;

· jan-janssen opened on Mar 6, 2025

Can we separate referencedata to a different package?

Status: Open.

#324 In pyiron/atomistics;

· samwaseda opened on Aug 17, 2024

[Enhancement] Move all properties for the workflow classes to private

Status: Open.

#227 In pyiron/atomistics;

· jan-janssen opened on Mar 18, 2024

[Enhancement] Implement parallel execution based on executors

Status: Open.

#226 In pyiron/atomistics;

· jan-janssen opened on Mar 18, 2024

Issues with installation

Status: Open.

#217 In pyiron/atomistics;

· srmnitc opened on Feb 19, 2024

Improve abstraction for data collections (e.g. Output)

Status: Open.

#181 In pyiron/atomistics;

· liamhuber opened on Jan 8, 2024

That's not shared

Status: Open.

#169 In pyiron/atomistics;

· liamhuber opened on Jan 2, 2024

How should output be structured?

Status: Open.

#168 In pyiron/atomistics;

· liamhuber opened on Jan 2, 2024